7MLP
Crystal structure of ricin A chain in complex with 5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-11-18 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.658, 77.867, 53.244 |
| Unit cell angles | 90.00, 111.25, 90.00 |
Refinement procedure
| Resolution | 49.630 - 1.780 |
| R-factor | 0.1824 |
| Rwork | 0.181 |
| R-free | 0.21280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rtc |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.381 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.630 | 1.820 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rpim | 0.078 | 0.530 |
| Number of reflections | 27293 | 1415 |
| <I/σ(I)> | 5.9 | 1.5 |
| Completeness [%] | 96.9 | 90.2 |
| Redundancy | 3.7 | 3 |
| CC(1/2) | 0.990 | 0.620 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 295 | 100 mM Sodium Acetate pH 4.5, 200 mM Zinc Acetate, 10 %(w/v) PEG 3000 |
